7PFL
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![BU of 7pfl by Molmil](/molmil-images/mine/7pfl) | The SARS-CoV2 major protease (Mpro) apo structure to 1.8 A resolution | Descriptor: | Replicase polyprotein 1ab, SODIUM ION | Authors: | Moche, M, Moodie, L, Strandback, E, Nyman, T, Akaberi, D, Lennerstrand, J. | Deposit date: | 2021-08-11 | Release date: | 2022-08-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The SARS-CoV2 major protease (Mpro) in complex with a non-covalent inhibitory ligand at 2 A resolution To Be Published
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7PFM
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![BU of 7pfm by Molmil](/molmil-images/mine/7pfm) | A SARS-CoV2 major protease non-covalent ligand structure determined to 2.0 A resolution | Descriptor: | N-[(1R)-2-(tert-butylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-N-(4-tert-butylphenyl)-1H-imidazole-5-carboxamide, Replicase polyprotein 1ab | Authors: | Moche, M, Moodie, L, Strandback, E, Nyman, T, Sandstrom, A, Akaberi, D, Lennerstrand, J. | Deposit date: | 2021-08-11 | Release date: | 2022-08-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The SARS-CoV2 major protease (Mpro) in complex with a non-covalent inhibitory ligand at 2 A resolution To Be Published
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9EOX
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![BU of 9eox by Molmil](/molmil-images/mine/9eox) | SARS-CoV2 major protease in covalent complex with a soluble inhibitor. | Descriptor: | (2~{S})-2-[[(3~{R})-3-[[(2~{R})-2-[(2-cyanopyridin-4-yl)carbonylamino]hexanoyl]amino]-4-(1~{H}-indol-3-yl)butanoyl]amino]-3-pyridin-4-yl-propanoic acid, 3C-like proteinase nsp5, POTASSIUM ION | Authors: | Moche, M, Lennerstrand, J, Nyman, T, Strandback, E, Akaberi, D. | Deposit date: | 2024-03-15 | Release date: | 2024-09-04 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Identification of novel and potent inhibitors of SARS-CoV-2 main protease from DNA-encoded chemical libraries. Antimicrob.Agents Chemother., 2024
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9EO6
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![BU of 9eo6 by Molmil](/molmil-images/mine/9eo6) | SARS-CoV2 major protease in complex with a covalent inhibitor SLL11. | Descriptor: | 3C-like proteinase nsp5, POTASSIUM ION, ~{N}-[(2~{S})-3-cyclobutyl-1-[[(2~{R})-1-(1~{H}-indol-3-yl)-4-[[(2~{R})-1-(methylamino)-1-oxidanylidene-3-pyridin-4-yl-propan-2-yl]amino]-4-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-(iminomethyl)pyridine-4-carboxamide | Authors: | Moche, M, Lennerstrand, J, Nyman, T, Strandback, E, Akaberi, D. | Deposit date: | 2024-03-14 | Release date: | 2024-09-04 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Identification of novel and potent inhibitors of SARS-CoV-2 main protease from DNA-encoded chemical libraries. Antimicrob.Agents Chemother., 2024
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9EOR
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![BU of 9eor by Molmil](/molmil-images/mine/9eor) | SARS-CoV2 major protease in complex with a covalent inhibitor SLL12. | Descriptor: | 2-cyano-~{N}-[(2~{R})-1-[[(2~{S})-1-(1~{H}-indol-3-yl)-4-[[(2~{R})-1-(methylamino)-1-oxidanylidene-3-pyridin-4-yl-propan-2-yl]amino]-4-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]pyridine-4-carboxamide, 3C-like proteinase nsp5, POTASSIUM ION | Authors: | Moche, M, Lennerstrand, J, Nyman, T, Strandback, E, Akaberi, D. | Deposit date: | 2024-03-15 | Release date: | 2024-09-04 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Identification of novel and potent inhibitors of SARS-CoV-2 main protease from DNA-encoded chemical libraries. Antimicrob.Agents Chemother., 2024
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